7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H19N5O4 — CID 138003847

IUPAC7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)C1C(=O)NCCN1Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C15H19N5O4/c1-8(2)12-14(22)16-3-4-19(12)7-9-5-11(21)20-13(18-9)10(6-17-20)15(23)24/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,22)(H,23,24)
InChIKeyBKLBFKZLVQOBHB-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.32
Rot. Bonds4

About 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 138003847) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID138003847
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)C1C(=O)NCCN1Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1
InChIInChI=1S/C15H19N5O4/c1-8(2)12-14(22)16-3-4-19(12)7-9-5-11(21)20-13(18-9)10(6-17-20)15(23)24/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,22)(H,23,24)
InChIKeyBKLBFKZLVQOBHB-UHFFFAOYSA-N
XLogP-0.32
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-3-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]benzoic acid
CID 146093085
5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83678981
4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
CID 70769632
(3R)-4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-propan-2-ylpiperazin-2-one
CID 124854894
5-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152785745
3-propan-2-yl-4-[(3-propoxyphenyl)methyl]piperazin-2-one
CID 119039263
3-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054563
7-[[(2S)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754555
ethyl 3-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1-benzofuran-2-carboxylate
CID 56542808
7-[[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754556
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135956802

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 138003847) is 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)C1C(=O)NCCN1Cc1cc(=O)n2[nH]cc(C(=O)O)c2n1.
What is the InChIKey of 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BKLBFKZLVQOBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-8(2)12-14(22)16-3-4-19(12)7-9-5-11(21)20-13(18-9)10(6-17-20)15(23)24/h5-6,8,12,17H,3-4,7H2,1-2H3,(H,16,22)(H,23,24).
What are the key properties of 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-[(3-oxo-2-propan-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 138003847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).